5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide

C13H21ClN2O2S2 — CID 106631097

IUPAC5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-3-16(9-11-5-4-6-15-8-11)20(17,18)12-7-10(2)13(14)19-12/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyQTYIJWRQWQEXOP-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.72
Rot. Bonds5

About 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106631097) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106631097
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC Name5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-3-16(9-11-5-4-6-15-8-11)20(17,18)12-7-10(2)13(14)19-12/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyQTYIJWRQWQEXOP-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106608726
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106631369
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 103100248
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide (CID 106631097) is 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide is CCN(CC1CCCNC1)S(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is QTYIJWRQWQEXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S2/c1-3-16(9-11-5-4-6-15-8-11)20(17,18)12-7-10(2)13(14)19-12/h7,11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 336.91 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106631097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).